2-bromo-4-{[2-(ethylsulfanyl)-5-oxo-1,3-thiazol-4(5H)-ylidene]methyl}-6-methoxyphenyl acetate
Chemical Structure Depiction of
2-bromo-4-{[2-(ethylsulfanyl)-5-oxo-1,3-thiazol-4(5H)-ylidene]methyl}-6-methoxyphenyl acetate
2-bromo-4-{[2-(ethylsulfanyl)-5-oxo-1,3-thiazol-4(5H)-ylidene]methyl}-6-methoxyphenyl acetate
Compound characteristics
| Compound ID: | 5617-0463 |
| Compound Name: | 2-bromo-4-{[2-(ethylsulfanyl)-5-oxo-1,3-thiazol-4(5H)-ylidene]methyl}-6-methoxyphenyl acetate |
| Molecular Weight: | 416.31 |
| Molecular Formula: | C15 H14 Br N O4 S2 |
| Smiles: | CCSC1=NC(=C/c2cc(c(c(c2)[Br])OC(C)=O)OC)\C(=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.8854 |
| logD: | 3.8854 |
| logSw: | -4.0126 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 50.909 |
| InChI Key: | VLWXEOWHUKNWIS-UHFFFAOYSA-N |